Complex hydrides for CO2 reduction

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The alarming increase in atmospheric carbon dioxide levels, primarily attributed to human-induced fossil fuel combustion for power generation, underscores the urgency for sustainable solutions. The solid oxide fuel cell (SOFC) is a promising candidate for ...

Rock dissolution is a common subsurface geochemical reaction affecting pore space properties, crucial for reservoir stimulation, carbon storage, and geothermal energy. Predictive models for dissolution remain limited due to incomplete understanding of the ...

As one of the largest industrial emitters, today's refineries must take action to reduce emissions in response to global climate change and net -zero targets. However, the decarbonization of refineries is complex due to the diverse range of processes invol ...

High entropy materials (HEMs) are highly effective as a catalyst and can be synthesized by facile methods. Here, we discuss recent advancements in HEMs for Hydrogen evolution reaction (HER), Oxygen evolution reaction (OER), and Oxygen reduction reaction (O ...

Pore topology and chemistry play crucial roles in the adsorption characteristics of metal-organic frameworks (MOFs). To deepen our understanding of the interactions between MOFs and CO2 during this process, we systematically investigate the adsorption prop ...

Artificial photosynthesis is an effective way of converting CO2 into fuel and high value-added chemicals. However, the sluggish interfacial electron transfer and adsorption of CO2 at the catalyst surface strongly hamper the activity and selectivity of CO2 ...

The regulation of energy in the brain has garnered substantial attention in recent years due to its significant implications in various disorders and aging. The brain’s energy metabolism is a dynamic and tightly regulated network that balances energy deman ...

Fuels from bio-based resources hold the potential to supply fossil fuel alternatives at reasonable economic and environmental expenses that can assist emission reduction in the transportation sector. However, apart from a general need to reduce fossil-base ...

Density-functional theory methods and codes adopting periodic boundary conditions are extensively used in condensed matter physics and materials science research. In 2016, their precision (how well properties computed with different codes agree among each ...

The cost of polymer electrolyte water electrolysis (PEWE) is dominated by the price of electricity used to power the water splitting reaction. We present a liquid water fed polymer electrolyte water electrolyzer cell operated at a cell temperature of 100 d ...

Four novel polypyridine cobalt(II) complexes were developed based on a hexadentate ligand scaffold bearing either electron-withdrawing (-CF3) or electron-donating (-OCH3) groups in different positions of the ligand. Experiments and theoretical calculations ...

Complex hydrides for CO2 reduction

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Efficient, affordable, carbon-neutral power: Advanced solid oxide fuel cell-electrolyzer system

Flow Heterogeneity Controls Dissolution Dynamics in Topologically Complex Rocks

A holistic approach to refinery decarbonization based on atomic, energy and exergy flow analysis

First-principles and experimental insight of high-entropy materials as electrocatalysts for energy-related applications: Hydrogen evolution, oxygen evolution, and oxygen reduction reactions

Adsorption in Pyrene-Based Metal-Organic Frameworks: The Role of Pore Structure and Topology

Boosting Interfacial Electron Transfer and CO2 Enrichment on ZIF-8/ZnTe for Selective Photoelectrochemical Reduction of CO2 to CO

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Understanding Degradation Effects of Elevated Temperature Operating Conditions in Polymer Electrolyte Water Electrolyzers

Rationalizing Photo-Triggered Hydrogen Evolution Using Polypyridine Cobalt Complexes: Substituent Effects on Hexadentate Chelating Ligands